CID 366534

Nsc635143

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C22H24N2O3/c1-4-14(3)16-10-8-9-15(5-2)21(16)24-22(26)18(25)13-20-23-17-11-6-7-12-19(17)27-20/h6-12,14H,4-5,13H2,1-3H3,(H,24,26)
InChIKey
QSMIRHYSRGDBOV-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(2-butan-2-yl-6-ethylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 190.8
[M+Na]+ 387.16790 197.4
[M-H]- 363.17140 197.9
[M+NH4]+ 382.21250 202.9
[M+K]+ 403.14184 194.0
[M+H-H2O]+ 347.17594 181.9
[M+HCOO]- 409.17688 211.0
[M+CH3COO]- 423.19253 220.8
[M+Na-2H]- 385.15335 191.3
[M]+ 364.17813 196.0
[M]- 364.17923 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.